Information card for entry 4335192

Structure parameters

• Formula: C8 H6 Cr N4 O5
• Calculated formula: C8 H6 Cr N4 O5
• SMILES: [Cr](c1n(n[n+](n1)C)C)(C#[O])(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Synthesis and Comparison of Transition Metal Complexes of Abnormal and Normal Tetrazolylidenes: A Neglected Ligand Species
• Authors of publication: Lars-Arne Schaper; Xuhui Wei; Philipp J. Altmann; Karl Öfele; Alexander Pöthig; Markus Drees; János Mink; Eberhardt Herdtweck; Bettina Bechlars; Wolfgang A. Herrmann; Fritz E. Kühn
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 7031 - 7044
• a: 12.0361 ± 0.001 Å
• b: 7.4686 ± 0.0006 Å
• c: 13.5986 ± 0.001 Å
• α: 90°
• β: 103.003 ± 0.004°
• γ: 90°
• Cell volume: 1191.07 ± 0.16 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0353
• Residual factor for significantly intense reflections: 0.0268
• Weighted residual factors for significantly intense reflections: 0.063
• Weighted residual factors for all reflections included in the refinement: 0.0681
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No